Geometry & MOs

Info

ID:

221376

PubChem CID:

85272326

Reduced:

N2O3C12H13 (1)

Stoich.:

A2B3C12D13 (1)

Weight, g/mol:

232.084792

ΔHf, kcal/mol:

-46.8

Dipole, Da:

1.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.928938

Charge, e:

 0

Chem-info

IUPAC name:

1,6-dihydroxy-2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-one

Drug info:

PubChemData

Smile

CC(=O)OC(CC1=CC=CC=C1)C(=C[N+]#N)O

DOS

IR

Vibrations